Danshenxinkun D
PubChem CID: 127172
Connections displayed (default: 10).
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| Compound Synonyms | Danshenxinkun D, 98873-76-8, 8-(hydroxymethyl)-4,8,9-trimethyl-9,10-dihydronaphtho[2,1-g]chromene-7,12-dione, 7H-Phenanthro(3,2-b)pyran-7,12(8H)-dione, 9,10-dihydro-8-(hydroxymethyl)-4,8,9-trimethyl-, DTXSID50913035, AKOS040760055, FS-6975, DA-62655, HY-125125, CS-0089389, 4-(HYDROXYMETHYL)-3,4,8-TRIMETHYL-2,3-DIHYDRO-1-OXATETRAPHENE-5,12-DIONE, 8-(Hydroxymethyl)-4,8,9-trimethyl-9,10-dihydro-7H-phenanthro[3,2-b]pyran-7,12(8H)-dione |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | LOLTUKHHUOCHAV-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Compound Name | Danshenxinkun D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 336.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.136 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 636.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 336.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(hydroxymethyl)-4,8,9-trimethyl-9,10-dihydronaphtho[2,1-g]chromene-7,12-dione |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.511799400000001 |
| Inchi | InChI=1S/C21H20O4/c1-11-5-4-6-14-13(11)7-8-15-16(14)19(24)20-17(18(15)23)21(3,10-22)12(2)9-25-20/h4-8,12,22H,9-10H2,1-3H3 |
| Smiles | CC1COC2=C(C1(C)CO)C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C |
| Xlogp | 3.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C21H20O4 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients